Pub Date : 2025-12-01DOI: 10.1016/j.chphi.2025.100976
Sadegh Azizi, Mohammad Bagher Askari
In this study, a novel ternary composite of NiO–Fe₂O₃–CuO was successfully synthesized and anchored on MXene (Ti₃C₂) nanosheets via a facile hydrothermal method, using nickel foam as the current collector. The resulting NiO–Fe₂O₃–CuO/MXene composite was thoroughly characterized by XRD, FESEM, and elemental mapping analyses, confirming the coexistence and homogeneous distribution of all constituent phases. Electrochemical evaluations in 2 M KOH electrolyte revealed that the NiO–Fe₂O₃–CuO/MXene electrode exhibits outstanding faradaic activity and enhanced charge storage, as evidenced by its large integrated CV area, pronounced redox peaks, and the highest specific capacitance of 790 F g⁻¹ at 1 A g⁻¹. The composite also demonstrated remarkable rate capability, retaining 74.6% of its capacitance at 4 A g⁻¹, as well as superior cycling stability (91.5% retention after 5000 cycles) compared to NiO–Fe₂O₃–CuO and MXene electrodes. This performance enhancement is attributed to the synergistic effects between the multi-metal oxides and the conductive MXene scaffold, which offers abundant electroactive sites, rapid ion/electron transport, and robust structural integrity. These findings suggest that the NiO–Fe₂O₃–CuO/MXene hybrid is a highly promising electrode material for next-generation high-performance supercapacitors.
在本研究中，以泡沫镍为捕流剂，通过水热法成功合成了一种新型的NiO-Fe₂O₃-CuO三元复合材料，并将其固定在MXene （Ti₃C₂）纳米片上。通过XRD、FESEM和元素图分析对NiO-Fe₂O₃-CuO /MXene复合材料进行了表征，证实了该复合材料各组分相共存且分布均匀。在2 M KOH电解液中的电化学评价表明，NiO-Fe₂O₃-CuO /MXene电极具有良好的法电活性和增强的电荷存储能力，其综合CV面积大，氧化还原峰明显，在1 A g⁻¹处的比电容最高为790 F g⁻¹。与NiO-Fe₂O₃-CuO和MXene电极相比，该复合材料也表现出了显著的倍率能力，在4 A - g⁻¹下保持74.6%的电容，以及优越的循环稳定性（5000次循环后保持91.5%）。这种性能的增强归功于多金属氧化物和导电MXene支架之间的协同作用，MXene支架提供了丰富的电活性位点，快速的离子/电子传输和坚固的结构完整性。这些发现表明，NiO-Fe₂O₃-CuO /MXene杂化材料是下一代高性能超级电容器极有前途的电极材料。
{"title":"Multi-component NiO–Fe₂O₃–CuO anchored on MXene as supercapacitor electrode material","authors":"Sadegh Azizi, Mohammad Bagher Askari","doi":"10.1016/j.chphi.2025.100976","DOIUrl":"10.1016/j.chphi.2025.100976","url":null,"abstract":"<div><div>In this study, a novel ternary composite of NiO–Fe₂O₃–CuO was successfully synthesized and anchored on MXene (Ti₃C₂) nanosheets via a facile hydrothermal method, using nickel foam as the current collector. The resulting NiO–Fe₂O₃–CuO/MXene composite was thoroughly characterized by XRD, FESEM, and elemental mapping analyses, confirming the coexistence and homogeneous distribution of all constituent phases. Electrochemical evaluations in 2 M KOH electrolyte revealed that the NiO–Fe₂O₃–CuO/MXene electrode exhibits outstanding faradaic activity and enhanced charge storage, as evidenced by its large integrated CV area, pronounced redox peaks, and the highest specific capacitance of <strong>790 F g⁻¹ at 1 A g⁻¹</strong>. The composite also demonstrated remarkable rate capability, retaining <strong>74.6%</strong> of its capacitance at 4 A g⁻¹, as well as superior cycling stability (<strong>91.5% retention after 5000 cycles</strong>) compared to NiO–Fe₂O₃–CuO and MXene electrodes. This performance enhancement is attributed to the synergistic effects between the multi-metal oxides and the conductive MXene scaffold, which offers abundant electroactive sites, rapid ion/electron transport, and robust structural integrity. These findings suggest that the NiO–Fe₂O₃–CuO/MXene hybrid is a highly promising electrode material for next-generation high-performance supercapacitors.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100976"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145690398","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01DOI: 10.1016/j.chphi.2025.100982
C. Kavitha , S. Padmanabhan , S. Ganesan , K. Pravinkumar , P. Bhavani , Rama Bhadri Raju Chekuri , V. Parthasarathy , L. Guganathan , P. Saravanan , G. Shoba , T. Augustine , A. Subramani , R. Kumaran , P. Tamizhdurai
Se, Bi, and Sn particles were incorporated into mesoporous TiO₂ using a conventional impregnation technique. The obtained materials were analyzed through various characterization methods, including X-ray diffraction, Fourier Transform Infrared Spectroscopy, N₂ adsorption-desorption analysis, scanning electron microscopy, transmission electron microscopy, NH₃-temperature-programmed desorption, and thermogravimetric analysis. The prepared catalyst was used to hydrogenate D-glucose into D-sorbitol under solvent-free conditions at 80 °C and 10 bar for a reaction time of 2 h. The (5 wt%)Se/TiO₂ catalyst was tested for its effectiveness in the hydrogenation of D-glucose. Hydrogenation experiments were conducted in a batch reactor to evaluate its selectivity in producing D-sorbitol. Kinetic studies were performed to analyze the hydrogenation process using this catalyst. Within the studied operating conditions, the reaction rate exhibited first-order dependence on both D-glucose and hydrogen concentrations. To achieve the highest possible D-glucose conversion, as well as optimal selectivity and yield of D-sorbitol, reaction conditions were carefully optimized. During the recycling experiments, the Se/TiO₂ catalyst was filtered and washed with isopropyl alcohol (IPA), then dried before being reused in subsequent catalytic cycles. Notably, the Se/TiO₂ catalyst demonstrated outstanding catalytic performance, achieving over 99.5 wt% conversion with more than 100% selectivity under mild temperature and pressure conditions.
{"title":"Solvent-free selective hydrogenation of D-glucose to D-sorbitol using different metal-supported on mesoporous titanium dioxide catalysts","authors":"C. Kavitha , S. Padmanabhan , S. Ganesan , K. Pravinkumar , P. Bhavani , Rama Bhadri Raju Chekuri , V. Parthasarathy , L. Guganathan , P. Saravanan , G. Shoba , T. Augustine , A. Subramani , R. Kumaran , P. Tamizhdurai","doi":"10.1016/j.chphi.2025.100982","DOIUrl":"10.1016/j.chphi.2025.100982","url":null,"abstract":"<div><div>Se, Bi, and Sn particles were incorporated into mesoporous TiO₂ using a conventional impregnation technique. The obtained materials were analyzed through various characterization methods, including X-ray diffraction, Fourier Transform Infrared Spectroscopy, N₂ adsorption-desorption analysis, scanning electron microscopy, transmission electron microscopy, NH₃-temperature-programmed desorption, and thermogravimetric analysis. The prepared catalyst was used to hydrogenate D-glucose into D-sorbitol under solvent-free conditions at 80 °C and 10 bar for a reaction time of 2 h. The (5 wt%)Se/TiO₂ catalyst was tested for its effectiveness in the hydrogenation of D-glucose. Hydrogenation experiments were conducted in a batch reactor to evaluate its selectivity in producing D-sorbitol. Kinetic studies were performed to analyze the hydrogenation process using this catalyst. Within the studied operating conditions, the reaction rate exhibited first-order dependence on both D-glucose and hydrogen concentrations. To achieve the highest possible D-glucose conversion, as well as optimal selectivity and yield of D-sorbitol, reaction conditions were carefully optimized. During the recycling experiments, the Se/TiO₂ catalyst was filtered and washed with isopropyl alcohol (IPA), then dried before being reused in subsequent catalytic cycles. Notably, the Se/TiO₂ catalyst demonstrated outstanding catalytic performance, achieving over 99.5 wt% conversion with more than 100% selectivity under mild temperature and pressure conditions.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100982"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145619908","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01DOI: 10.1016/j.chphi.2025.100977
Masae Takahashi
Advances in terahertz (THz) technology over the last few decades have enabled the precise determination of the coupling strength of electron–phonon interactions in crystals by analyzing temperature-dependent frequency shifts in the THz energy region. In this study, we estimate the electron–phonon coupling strength in the THz energy region for several hydrogen-bonded network materials using THz spectroscopy. This study reveals that the electron–phonon interaction strength is discrete and expressed as multiples of a common unit strength, regardless of the materials and vibrational transitions. The common unit strength is estimated to be approximately 5 × 10–3 cm–1 K–1, which is nearly equal to kB/137, or αkB, where kB is the Boltzmann constant (0.695 cm–1 K–1) and α is the dimensionless fine-structure constant. The fine-structure constant α (∼ 1/137) is a fundamental measure of coupling strength limited to the electromagnetic force, one of the four fundamental forces or interactions. The electromagnetic force works between the electric current generated by moving charged particles such as electrons and the electromagnetic field induced by spin, light, etc. This finding indicates that the coupling-constant (α) scheme is applicable to electron–phonon interactions in the THz energy region.
{"title":"Electron–phonon coupling strength in hydrogen-bonded network crystals in the THz frequency range","authors":"Masae Takahashi","doi":"10.1016/j.chphi.2025.100977","DOIUrl":"10.1016/j.chphi.2025.100977","url":null,"abstract":"<div><div>Advances in terahertz (THz) technology over the last few decades have enabled the precise determination of the coupling strength of electron–phonon interactions in crystals by analyzing temperature-dependent frequency shifts in the THz energy region. In this study, we estimate the electron–phonon coupling strength in the THz energy region for several hydrogen-bonded network materials using THz spectroscopy. This study reveals that the electron–phonon interaction strength is discrete and expressed as multiples of a common unit strength, regardless of the materials and vibrational transitions. The common unit strength is estimated to be approximately 5 × 10<sup>–3</sup> cm<sup>–1</sup> K<sup>–1</sup>, which is nearly equal to <em>k<sub>B</sub></em>/137, or <em>αk<sub>B</sub></em>, where <em>k<sub>B</sub></em> is the Boltzmann constant (0.695 cm<sup>–1</sup> K<sup>–1</sup>) and <em>α</em> is the dimensionless fine-structure constant. The fine-structure constant <em>α</em> (∼ 1/137) is a fundamental measure of coupling strength limited to the electromagnetic force, one of the four fundamental forces or interactions. The electromagnetic force works between the electric current generated by moving charged particles such as electrons and the electromagnetic field induced by spin, light, etc. This finding indicates that the coupling-constant (<em>α</em>) scheme is applicable to electron–phonon interactions in the THz energy region.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100977"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145619883","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this research, the computational method of molecular dynamics simulation was employed to investigate the adsorption of Carmostine and Fluorouracil, two drugs, onto the MgO nanotube as an efficient drug delivery system. It focuses on structural properties, drug loading capacity in the carrier, intermolecular interactions, and drug encapsulation behaviors. The molecular structure of drugs was obtained from the PubChem database. Primary structures in molecular dynamics using Gaussian09 software in an aqueous environment at DFT/B3LYP/6–31g(d) level of theory were optimized. The restrained electrostatic potential method was used to calculate partial charges. Basic parameters were built into the tleap code in the AmberTools package. The GROMACS 2024 software, a modified water model (SPC/E), and the Amber99SB force field were used in all-atom simulations. VMD and Chimera packages were used to view simulation photos. The root means square deviation values predict that fluorouracil has greater dynamic stability than carmustine. The results of the radial distribution function and density distribution of the drug molecule around the MgO nanocarrier predict well that the maximum distribution of the carmustine drug molecule is around the nanocarrier and in the case of fluorouracil, the maximum distribution is in the center of mass of the nanocarrier. These studies show that the fluorouracil drug molecule penetrates well into the nanocarrier and its main distribution is in the center of mass of the nanocarrier, and this can be used in slow-release or extended-release. The Gibbs free energy of binding of Carmostine and Fluorouracil on MgO nanotube carrier at 310 K and in the NPT ensemble according to the Poisson Boltzmann surface area method was obtained as -20.19±0.24 and -16.15±0.11 kcal/mol, respectively, and according to these values, it can be concluded that the process loading or encapsulation of Carmostine and Fluorouracil in the carrier are thermodynamically favorable.
{"title":"A molecular dynamics insight into the encapsulation behavior of carmustine and fluorouracil drugs on MgO nanotubes as a novel and efficient nanocarrier","authors":"Roxana Farnoodian , Yaghoub Rahnama , Mohadeseh Kiani Neyestanak , Morteza Rezaeisadat","doi":"10.1016/j.chphi.2025.100964","DOIUrl":"10.1016/j.chphi.2025.100964","url":null,"abstract":"<div><div>In this research, the computational method of molecular dynamics simulation was employed to investigate the adsorption of Carmostine and Fluorouracil, two drugs, onto the MgO nanotube as an efficient drug delivery system. It focuses on structural properties, drug loading capacity in the carrier, intermolecular interactions, and drug encapsulation behaviors. The molecular structure of drugs was obtained from the PubChem database. Primary structures in molecular dynamics using Gaussian09 software in an aqueous environment at DFT/B3LYP/6–31<em>g</em>(d) level of theory were optimized. The restrained electrostatic potential method was used to calculate partial charges. Basic parameters were built into the tleap code in the AmberTools package. The GROMACS 2024 software, a modified water model (SPC/E), and the Amber99SB force field were used in all-atom simulations. VMD and Chimera packages were used to view simulation photos. The root means square deviation values predict that fluorouracil has greater dynamic stability than carmustine. The results of the radial distribution function and density distribution of the drug molecule around the MgO nanocarrier predict well that the maximum distribution of the carmustine drug molecule is around the nanocarrier and in the case of fluorouracil, the maximum distribution is in the center of mass of the nanocarrier. These studies show that the fluorouracil drug molecule penetrates well into the nanocarrier and its main distribution is in the center of mass of the nanocarrier, and this can be used in slow-release or extended-release. The Gibbs free energy of binding of Carmostine and Fluorouracil on MgO nanotube carrier at 310 K and in the NPT ensemble according to the Poisson Boltzmann surface area method was obtained as -20.19±0.24 and -16.15±0.11 kcal/mol, respectively, and according to these values, it can be concluded that the process loading or encapsulation of Carmostine and Fluorouracil in the carrier are thermodynamically favorable.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100964"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145619885","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01DOI: 10.1016/j.chphi.2025.100973
Mustafa A. Alheety , Abdulwahhab H. Majeed , Deena Saady Mohammed , Ahmed R. Mahmood , Bandhavi Challa , Kuldeep Kumar Saxena , Rakesh C
Polyaniline, a conducting polymer with unique electrical, chemical, and biological properties, has emerged as a promising material for scaffold applications in tissue engineering and regenerative medicine. This comprehensive review examines the current state of polyaniline-based scaffolds, covering synthesis methods, fundamental properties, fabrication techniques, biomedical applications, and future perspectives. The review synthesizes findings from over 100 recent publications to provide insights into the potential of polyaniline scaffolds for various tissue engineering applications, including cardiac, neural, bone, and muscle tissue regeneration. Key challenges such as biocompatibility, biodegradability, and mechanical properties are critically assessed, along with recent advances in addressing these limitations through composite materials and novel fabrication approaches. The multimodal utility of polyaniline in biomedical applications, ranging from tissue engineering to biosensing and drug delivery, demonstrates its versatility as a biomaterial. Recent progress in synthesis and applications of polyaniline-coated nanocomposites has opened new possibilities for advanced scaffold designs. This review aims to provide researchers and clinicians with a comprehensive understanding of polyaniline scaffold technology and its potential for clinical translation, based on analysis of current literature spanning fundamental research to clinical applications.
{"title":"Polyaniline-based scaffolds: synthesis, fabrication, and biomedical applications: A comprehensive review","authors":"Mustafa A. Alheety , Abdulwahhab H. Majeed , Deena Saady Mohammed , Ahmed R. Mahmood , Bandhavi Challa , Kuldeep Kumar Saxena , Rakesh C","doi":"10.1016/j.chphi.2025.100973","DOIUrl":"10.1016/j.chphi.2025.100973","url":null,"abstract":"<div><div>Polyaniline, a conducting polymer with unique electrical, chemical, and biological properties, has emerged as a promising material for scaffold applications in tissue engineering and regenerative medicine. This comprehensive review examines the current state of polyaniline-based scaffolds, covering synthesis methods, fundamental properties, fabrication techniques, biomedical applications, and future perspectives. The review synthesizes findings from over 100 recent publications to provide insights into the potential of polyaniline scaffolds for various tissue engineering applications, including cardiac, neural, bone, and muscle tissue regeneration. Key challenges such as biocompatibility, biodegradability, and mechanical properties are critically assessed, along with recent advances in addressing these limitations through composite materials and novel fabrication approaches. The multimodal utility of polyaniline in biomedical applications, ranging from tissue engineering to biosensing and drug delivery, demonstrates its versatility as a biomaterial. Recent progress in synthesis and applications of polyaniline-coated nanocomposites has opened new possibilities for advanced scaffold designs. This review aims to provide researchers and clinicians with a comprehensive understanding of polyaniline scaffold technology and its potential for clinical translation, based on analysis of current literature spanning fundamental research to clinical applications.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100973"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145619897","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-01DOI: 10.1016/j.chphi.2025.100972
Raman Kumar , Ankit Sharma , Pulkit Kumar , Kiran K S , Helen Merina Albert , Anant Prakash Agrawal , Gowtham Raj R , Bandhavi Challa , Gottipati Venkata Rambabu , Ashish Kumar
Seawater electrolysis for hydrogen production represents a promising pathway within the global energy transition. It aims to advance clean energy, resource sustainability, and climate-neutral development. Unlike freshwater electrolysis, which competes with limited freshwater supplies, seawater offers an abundant and sustainable feedstock. It is advantageous for coastal and island regions. However, the direct utilization of seawater poses significant technical challenges, including severe electrode corrosion, chlorine evolution, cathodic scaling, and membrane degradation. It leads to compromised system performance and longevity. Recent advances in catalysts, protective coatings, and ion-exchange membranes have begun to mitigate these barriers. These advances can enable improved selectivity, stability, and efficiency in saline environments. In parallel, hybrid renewable energy systems (HRES) are integrating solar, wind, wave, geothermal, and biomass energy with hydrogen storage. It offers versatile solutions to renewable intermittency, thereby enhancing long-term energy reliability. When coupled with seawater electrolysis, HRES creates synergies at the energy–water nexus, enabling opportunities ranging from distributed self-sufficiency to large-scale hydrogen export. Although the current cost of hydrogen derived from seawater exceeds that of freshwater-based systems, techno-economic assessments suggest that economies of scale, enhanced system durability, and declining renewable energy costs are likely to render seawater electrolysis competitive within the next decade. This review synthesizes recent advances in materials, system design, optimization strategies, and sustainability metrics, while also highlighting prospective developments in digitalization, circular economy integration, and policy frameworks. The review highlights the potential role of seawater electrolysis in HRES as a foundational component of the emerging global green hydrogen economy.
{"title":"Advanced materials and system innovations for seawater electrolysis in hybrid renewable energy systems: Toward sustainable hydrogen production","authors":"Raman Kumar , Ankit Sharma , Pulkit Kumar , Kiran K S , Helen Merina Albert , Anant Prakash Agrawal , Gowtham Raj R , Bandhavi Challa , Gottipati Venkata Rambabu , Ashish Kumar","doi":"10.1016/j.chphi.2025.100972","DOIUrl":"10.1016/j.chphi.2025.100972","url":null,"abstract":"<div><div>Seawater electrolysis for hydrogen production represents a promising pathway within the global energy transition. It aims to advance clean energy, resource sustainability, and climate-neutral development. Unlike freshwater electrolysis, which competes with limited freshwater supplies, seawater offers an abundant and sustainable feedstock. It is advantageous for coastal and island regions. However, the direct utilization of seawater poses significant technical challenges, including severe electrode corrosion, chlorine evolution, cathodic scaling, and membrane degradation. It leads to compromised system performance and longevity. Recent advances in catalysts, protective coatings, and ion-exchange membranes have begun to mitigate these barriers. These advances can enable improved selectivity, stability, and efficiency in saline environments. In parallel, hybrid renewable energy systems (HRES) are integrating solar, wind, wave, geothermal, and biomass energy with hydrogen storage. It offers versatile solutions to renewable intermittency, thereby enhancing long-term energy reliability. When coupled with seawater electrolysis, HRES creates synergies at the energy–water nexus, enabling opportunities ranging from distributed self-sufficiency to large-scale hydrogen export. Although the current cost of hydrogen derived from seawater exceeds that of freshwater-based systems, techno-economic assessments suggest that economies of scale, enhanced system durability, and declining renewable energy costs are likely to render seawater electrolysis competitive within the next decade. This review synthesizes recent advances in materials, system design, optimization strategies, and sustainability metrics, while also highlighting prospective developments in digitalization, circular economy integration, and policy frameworks. The review highlights the potential role of seawater electrolysis in HRES as a foundational component of the emerging global green hydrogen economy.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100972"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145619891","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-27DOI: 10.1016/j.chphi.2025.100985
Jeya Preethi Selvam, Ponmurugan Ponnusamy
This study reports the mycosynthesis of Copper Oxide and Zinc Oxide nanoparticles using edible mushrooms -Agaricus bisporus and Pleurotus ostreatus and evaluates their physiochemical and biological properties. The biosynthesized nanoparticles were characterized using ultraviolet-visible spectroscopy, fourier-transform infrared spectroscopy, x-ray diffraction, scanning electron microscopy, energy dispersive x-ray analysis, Thermogravimetric analysis, Brunauer–Emmett–Teller (BET) analysis and x-ray photoelectron spectroscopy analysis. Antioxidant activity assessed by phosphomolybdenum, superoxide radical, 2,2 –diphenyl-1-picrylhydrazyl and ferric reducing assays showed that Pleurotus ostreatus-derived zinc oxide (91.40 ± 3.87 milligrams ascorbic acid equivalent per gram) nanoparticles exhibited higher antioxidant capacity. Superoxide radical scavenging was strongest in zinc oxide from Pleutrotus ostreatus (76.84 %) and copper oxide from the same source (65.32 %), while Agaricus bisporus mediated copper oxide displayed higher ferric reducing power (21.56 ± 1.04 micrograms per millilitre). Antimicrobial activity increased with concentration, with copper oxide and zinc oxide from Pleurotus ostreatus exhibiting maximum inhibition of approximately 48 % and 47 % at 200 microlitres. Anti-inflammatory activity revealed the highest inhibition for copper oxide from Pleurotus ostreatus (89.39 %), surpassing the standard (61.25 %). Cytotoxicity evaluation indicated a concentration-dependent inhibition, with copper oxide from Pleurotus ostreatus maintaining the strongest activity, decreasing from 89.22 % to 35.54 %. Overall, nanoparticles synthesized using Pleurotus ostreatus exhibited superior biological properties, highlighting the potential of mushroom-mediated green nanotechnology for biomedical applications.
{"title":"Green synthesis of CuO and ZnO nanoparticles from edible mushrooms: Characterization and evaluation of antioxidant, antimicrobial, anti-inflammatory and cytotoxicity activities","authors":"Jeya Preethi Selvam, Ponmurugan Ponnusamy","doi":"10.1016/j.chphi.2025.100985","DOIUrl":"10.1016/j.chphi.2025.100985","url":null,"abstract":"<div><div>This study reports the mycosynthesis of Copper Oxide and Zinc Oxide nanoparticles using edible mushrooms -<em>Agaricus bisporus</em> and <em>Pleurotus ostreatus</em> and evaluates their physiochemical and biological properties. The biosynthesized nanoparticles were characterized using ultraviolet-visible spectroscopy, fourier-transform infrared spectroscopy, x-ray diffraction, scanning electron microscopy, energy dispersive x-ray analysis, Thermogravimetric analysis, Brunauer–Emmett–Teller (BET) analysis and x-ray photoelectron spectroscopy analysis. Antioxidant activity assessed by phosphomolybdenum, superoxide radical, 2,2 –diphenyl-1-picrylhydrazyl and ferric reducing assays showed that <em>Pleurotus ostreatus</em>-derived zinc oxide (91.40 ± 3.87 milligrams ascorbic acid equivalent per gram) nanoparticles exhibited higher antioxidant capacity. Superoxide radical scavenging was strongest in zinc oxide from <em>Pleutrotus ostreatus</em> (76.84 %) and copper oxide from the same source (65.32 %), while <em>Agaricus bisporus</em> mediated copper oxide displayed higher ferric reducing power (21.56 ± 1.04 micrograms per millilitre). Antimicrobial activity increased with concentration, with copper oxide and zinc oxide from <em>Pleurotus ostreatus</em> exhibiting maximum inhibition of approximately 48 % and 47 % at 200 microlitres. Anti-inflammatory activity revealed the highest inhibition for copper oxide from <em>Pleurotus ostreatus</em> (89.39 %), surpassing the standard (61.25 %). Cytotoxicity evaluation indicated a concentration-dependent inhibition, with copper oxide from <em>Pleurotus ostreatus</em> maintaining the strongest activity, decreasing from 89.22 % to 35.54 %. Overall, nanoparticles synthesized using <em>Pleurotus ostreatus</em> exhibited superior biological properties, highlighting the potential of mushroom-mediated green nanotechnology for biomedical applications.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 100985"},"PeriodicalIF":4.3,"publicationDate":"2025-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145683937","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This study evaluates the corrosion inhibition performance of Rubia cordifolia extract on mild steel in a 3.5 % NaCl solution, with and without the addition of potassium iodide (SSKI oral solution). The extract contains active phytoconstituents such as alizarin, mollugin, naphthoquinone, ruberythric acid, saponins, and triterpenoids, which contribute to its anticorrosive behavior through adsorption on the steel surface. Potentiodynamic polarization (PDP) results revealed that both anodic and cathodic reactions were effectively suppressed, achieving maximum inhibition efficiencies of 88 % without KI and 95.2 % with KI at 400 mg/L concentration. Electrochemical impedance spectroscopy (EIS) confirmed this trend, showing an increase in charge transfer resistance (Rct) from 15.78 Ω·cm² (blank) to 139.21 Ω·cm² (without KI) and 260.03 Ω·cm² (with KI), indicating the formation of a compact and stable protective film. UV–Visible analysis further validated the adsorption of phytochemical components on the steel surface, as reflected by decreased absorbance after corrosion testing. These results demonstrate that Rubia cordifolia extract acts as an efficient, eco-friendly corrosion inhibitor for steel in saline environments, and its synergistic combination with KI enhances inhibition performance through improved film stability and surface coverage.
{"title":"Mixture of Rubia cordifolia and KI as an efficient corrosion inhibitor for steel in 3.5% NaCl: electrochemical and surface studies of steel","authors":"Anjali Sharma , Akhil Saxena , Jasdeep Kaur , Gottipati Venkata Rambabu , Rakesh C , A. Anitha Lakshmi , Ankit Sharma , Ashish Kumar , Rashi Tyagi","doi":"10.1016/j.chphi.2025.100983","DOIUrl":"10.1016/j.chphi.2025.100983","url":null,"abstract":"<div><div>This study evaluates the corrosion inhibition performance of Rubia cordifolia extract on mild steel in a 3.5 % NaCl solution, with and without the addition of potassium iodide (SSKI oral solution). The extract contains active phytoconstituents such as alizarin, mollugin, naphthoquinone, ruberythric acid, saponins, and triterpenoids, which contribute to its anticorrosive behavior through adsorption on the steel surface. Potentiodynamic polarization (PDP) results revealed that both anodic and cathodic reactions were effectively suppressed, achieving maximum inhibition efficiencies of 88 % without KI and 95.2 % with KI at 400 mg/L concentration. Electrochemical impedance spectroscopy (EIS) confirmed this trend, showing an increase in charge transfer resistance (Rct) from 15.78 Ω·cm² (blank) to 139.21 Ω·cm² (without KI) and 260.03 Ω·cm² (with KI), indicating the formation of a compact and stable protective film. UV–Visible analysis further validated the adsorption of phytochemical components on the steel surface, as reflected by decreased absorbance after corrosion testing. These results demonstrate that Rubia cordifolia extract acts as an efficient, eco-friendly corrosion inhibitor for steel in saline environments, and its synergistic combination with KI enhances inhibition performance through improved film stability and surface coverage.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 100983"},"PeriodicalIF":4.3,"publicationDate":"2025-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145683935","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-14DOI: 10.1016/j.chphi.2025.100970
Essam A. Elkelany , Safia Abdullah R Alharbi , Abd El-razek Mahmoud , Hesham Y. Amin
<div><div>SrO-doped glass is high-performance materials for scientific research, recent technology and industry. This work introduces SrO-doped cobalt borate glass fabricated by melting and quenching method, and scrutinized by various techniques like X-ray diffraction, energy dispersive X-ray, density, infrared, optical and spin resonance of electron spectroscopies. Further, the non-linear optical properties were determined considering SrO addition. The disordered nature and the chemical formula of glasses were confirmed. The increased density from 2.77 <span><math><mrow><mtext>gc</mtext><msup><mrow><mi>m</mi></mrow><mrow><mo>−</mo><mn>3</mn></mrow></msup></mrow></math></span> to 3.21 <span><math><mrow><mtext>gc</mtext><msup><mrow><mi>m</mi></mrow><mrow><mo>−</mo><mn>3</mn></mrow></msup></mrow></math></span> and the decreased molar volume from 31.00 <span><math><mrow><mi>c</mi><msup><mrow><mi>m</mi></mrow><mn>3</mn></msup><mo>/</mo><mtext>mol</mtext></mrow></math></span> reaching 28.87 <span><math><mrow><mi>c</mi><msup><mrow><mi>m</mi></mrow><mn>3</mn></msup><mo>/</mo><mtext>mol</mtext></mrow></math></span> confirm the network crosslinking with a degree of compactness. Infrared spectra confirmed the structural transformation (i.e., <span><math><mrow><mi>B</mi><msub><mi>O</mi><mn>4</mn></msub></mrow></math></span> to <span><math><mrow><mi>B</mi><msub><mi>O</mi><mn>3</mn></msub></mrow></math></span> conversion from 42.41 % to 51.32 %), with significant decrease in non-bridging oxygen bonds from 9.82% to 1.86%. On optical properties, the optronic transitions of cobalt ions at specific wavelengths give the glasses their optical traits, indicating the domination of<span><math><mrow><mspace></mspace><mi>C</mi><msup><mrow><mi>o</mi></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></mrow></math></span> over <span><math><mrow><mi>C</mi><msup><mrow><mi>o</mi></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></mrow></math></span> ions. The transitions at ∼ 575 nm (ν<sub>3</sub>) and ∼ 1497 nm (ν<sub>2</sub>) are assigned to <span><math><mrow><mi>C</mi><msup><mrow><mi>o</mi></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></mrow></math></span> in tetrahedral symmetry and used to determine the ligand field parameters. 10Dq increased from 3174 <span><math><mrow><mi>c</mi><msup><mrow><mi>m</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span> to 3218 <span><math><mrow><mi>c</mi><msup><mrow><mi>m</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span>, while Racah parameter B decreased from 970 <span><math><mrow><mi>c</mi><msup><mrow><mi>m</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span> to 943 <span><math><mrow><mi>c</mi><msup><mrow><mi>m</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span>, reflecting the high electron’s delocalization on <span><math><mrow><mi>C</mi><msup><mrow><mi>o</mi></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></mrow></math></span> cations, and enhancing the coval
{"title":"Prospecting of structural, optical and magnetic traits of high-performance SrO-doped cobalt borate glass","authors":"Essam A. Elkelany , Safia Abdullah R Alharbi , Abd El-razek Mahmoud , Hesham Y. Amin","doi":"10.1016/j.chphi.2025.100970","DOIUrl":"10.1016/j.chphi.2025.100970","url":null,"abstract":"<div><div>SrO-doped glass is high-performance materials for scientific research, recent technology and industry. This work introduces SrO-doped cobalt borate glass fabricated by melting and quenching method, and scrutinized by various techniques like X-ray diffraction, energy dispersive X-ray, density, infrared, optical and spin resonance of electron spectroscopies. Further, the non-linear optical properties were determined considering SrO addition. The disordered nature and the chemical formula of glasses were confirmed. The increased density from 2.77 <span><math><mrow><mtext>gc</mtext><msup><mrow><mi>m</mi></mrow><mrow><mo>−</mo><mn>3</mn></mrow></msup></mrow></math></span> to 3.21 <span><math><mrow><mtext>gc</mtext><msup><mrow><mi>m</mi></mrow><mrow><mo>−</mo><mn>3</mn></mrow></msup></mrow></math></span> and the decreased molar volume from 31.00 <span><math><mrow><mi>c</mi><msup><mrow><mi>m</mi></mrow><mn>3</mn></msup><mo>/</mo><mtext>mol</mtext></mrow></math></span> reaching 28.87 <span><math><mrow><mi>c</mi><msup><mrow><mi>m</mi></mrow><mn>3</mn></msup><mo>/</mo><mtext>mol</mtext></mrow></math></span> confirm the network crosslinking with a degree of compactness. Infrared spectra confirmed the structural transformation (i.e., <span><math><mrow><mi>B</mi><msub><mi>O</mi><mn>4</mn></msub></mrow></math></span> to <span><math><mrow><mi>B</mi><msub><mi>O</mi><mn>3</mn></msub></mrow></math></span> conversion from 42.41 % to 51.32 %), with significant decrease in non-bridging oxygen bonds from 9.82% to 1.86%. On optical properties, the optronic transitions of cobalt ions at specific wavelengths give the glasses their optical traits, indicating the domination of<span><math><mrow><mspace></mspace><mi>C</mi><msup><mrow><mi>o</mi></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></mrow></math></span> over <span><math><mrow><mi>C</mi><msup><mrow><mi>o</mi></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></mrow></math></span> ions. The transitions at ∼ 575 nm (ν<sub>3</sub>) and ∼ 1497 nm (ν<sub>2</sub>) are assigned to <span><math><mrow><mi>C</mi><msup><mrow><mi>o</mi></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></mrow></math></span> in tetrahedral symmetry and used to determine the ligand field parameters. 10Dq increased from 3174 <span><math><mrow><mi>c</mi><msup><mrow><mi>m</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span> to 3218 <span><math><mrow><mi>c</mi><msup><mrow><mi>m</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span>, while Racah parameter B decreased from 970 <span><math><mrow><mi>c</mi><msup><mrow><mi>m</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span> to 943 <span><math><mrow><mi>c</mi><msup><mrow><mi>m</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span>, reflecting the high electron’s delocalization on <span><math><mrow><mi>C</mi><msup><mrow><mi>o</mi></mrow><mrow><mn>2</mn><mo>+</mo></mrow></msup></mrow></math></span> cations, and enhancing the coval","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"12 ","pages":"Article 100970"},"PeriodicalIF":4.3,"publicationDate":"2025-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145735371","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Osteoarthritis is a degenerative joint disease characterized by progressive cartilage degradation, leading to pain and reduced mobility. This study employed a computational approach to explore the therapeutic potential of halofuginone and MAZ1310 as novel inhibitors targeting osteoarthritis-related pathways. Molecular docking was performed to evaluate the binding affinities of these compounds with key proteins involved in osteoarthritis pathogenesis, including MMP3, MMP13, SERPINA1, and BMP1. Molecular dynamics (MD) simulations were conducted to assess the stability of the ligand-protein complexes, followed by MM-PBSA calculations to estimate their binding free energies. Pharmacokinetic analyses were performed to determine absorption, distribution, metabolism, and excretion (ADME) properties, while toxicity profiling evaluated potential safety risks. The results revealed that halofuginone exhibited strong and stable binding interactions with multiple osteoarthritis-related proteins, particularly MMP3 and MMP13, suggesting its role in preventing cartilage breakdown. MAZ1310 also showed promising activity but displayed solubility limitations, necessitating formulation optimization. Toxicity assessments identified febrifugine as a potential risk due to its cardiotoxic effects. These findings highlight the potential of halofuginone and MAZ1310 as osteoarthritis therapeutics and emphasize the need for further preclinical and clinical validation to confirm their efficacy and safety profiles.
{"title":"Repurposing halofuginone derivatives for osteoarthritis therapy: Structural insights, multi-target inhibition, and pharmacokinetic profiling","authors":"Sandy Armandha Adianto Djojosugito , Paramasari Dirgahayu , Ratih Dewi Yudhani , Rieva Ermawan , Muthmainah Muthmainah , Dono Indarto , Brian Wasita","doi":"10.1016/j.chphi.2025.100969","DOIUrl":"10.1016/j.chphi.2025.100969","url":null,"abstract":"<div><div>Osteoarthritis is a degenerative joint disease characterized by progressive cartilage degradation, leading to pain and reduced mobility. This study employed a computational approach to explore the therapeutic potential of halofuginone and MAZ1310 as novel inhibitors targeting osteoarthritis-related pathways. Molecular docking was performed to evaluate the binding affinities of these compounds with key proteins involved in osteoarthritis pathogenesis, including MMP3, MMP13, SERPINA1, and BMP1. Molecular dynamics (MD) simulations were conducted to assess the stability of the ligand-protein complexes, followed by MM-PBSA calculations to estimate their binding free energies. Pharmacokinetic analyses were performed to determine absorption, distribution, metabolism, and excretion (ADME) properties, while toxicity profiling evaluated potential safety risks. The results revealed that halofuginone exhibited strong and stable binding interactions with multiple osteoarthritis-related proteins, particularly MMP3 and MMP13, suggesting its role in preventing cartilage breakdown. MAZ1310 also showed promising activity but displayed solubility limitations, necessitating formulation optimization. Toxicity assessments identified febrifugine as a potential risk due to its cardiotoxic effects. These findings highlight the potential of halofuginone and MAZ1310 as osteoarthritis therapeutics and emphasize the need for further preclinical and clinical validation to confirm their efficacy and safety profiles.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100969"},"PeriodicalIF":4.3,"publicationDate":"2025-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145575932","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
扫码关注我们
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号